| Formula | HFO |
| MW | 36.01 |
| InChIKey | AQYSYJUIMQTRMV-UHFFFAOYNA-N |
| Entry_Date | 2023-11-01 |
| Net_Charge | 0 |
| Number_Atoms | 3 |
| Number_Heavy_Atoms | 2 |
| Number_Rings | 0 |
| Number_Bonds | 2 |
| Rotat_Bonds | 0 |
| Unbranched_Chain | 2 |
| Chiral_Centers | 0 |
| ONatoms | 1 |
| HB_Donor | 1 |
| HB_Acceptor | 1 |
| OpenEye_HB_Donors | 1 |
| OpenEye_HB_Acceptors | 1 |
| Lipinski_HB_Donors | 1 |
| Lipinski_HB_Acceptors | 1 |
| Lipinski_Violations | 0 |
| XLogP3 | 0 |
| XLogP | -0.41 |
| logP | 0.2434 |
| PSA | 20.23 |
| MR | 3.0438 |
| ABS | 0.55 |
| Solubility | soluble |
| Aggregator | Pass |
| PM7_Heat_of_Formation_kcal_per_mol | -15.52174 |
| PM7_Total_Energy_ev | -771.03154 |
| PM7_Electronic_Energy_ev | -1239.65555 |
| PM7_Dipole_Debye | 1.44205 |
| PM7_Point_Group | Cs |
| PM7_HOMO_Energy_ev | -11.789 |
| PM7_LUMO_Energy_ev | 0.077 |
| PM7_COSMO_Area_square_ang | 54.74 |
| PM7_COSMO_Volue_cubic_ang | 35.94 |
| PM7_Electron_Affinity_ev | -0.077 |
| PM7_Ionization_Energy_ev | 11.789 |
| PM7_Energy_Gap_ev | 11.866 |
| PM7_Global_Hardness_ev | 5.933 |
| PM7_Global_Softness_ev | 0.16854879487611663 |
| PM7_Chemical_Potential_ev | -5.856 |
| PM7_Electronigativity_ev | 5.856 |
| PM7_Back_Donation_Energy_ev | -1.48325 |
| PM7_Electrophilicity_ev | 2.8899996629024103 |
| OPENEYE_Name | hypofluorous acid |
| SMILES | OF |
| Canonical_SMILES | OF |
| InChI | 1/FHO/c1-2/h2H |
| InChI_3D | 1S/FHO/c1-2/h2H |
| AuxInfo | 1/0/N:2,1/rA:3nOFH/rB:s1;s1;/rC:;1,0,0;-.25,-.433,0; |
| Duplicates | ChEBI30242_s0;ChEBI30244;ChEBI47864 |
| mol2_Path | /CCDB/ChEBI/Database/Compound-0000000000-0000049999/Compound-0000030000-0000030249/ChEBI30242_s0.mol2 |
| pdbqt_Path | /CCDB/ChEBI/Database/Compound-0000000000-0000049999/Compound-0000030000-0000030249/ChEBI30242_s0.pdbqt |
| sdf_Path | /CCDB/ChEBI/Database/Compound-0000000000-0000049999/Compound-0000030000-0000030249/ChEBI30242_s0.sdf |